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BDBM50042837 6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotetradecane-3-carboxylic acid::CHEMBL421664

SMILES: OC(=O)[C@@H]1CSCCCCCCCCC(CS)C(=O)N1

InChI Key: InChIKey=QUJBSFHTAGTYEJ-KIYNQFGBSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50042837   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50042837
PNG
(6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotetradeca...)
Show SMILES OC(=O)[C@@H]1CSCCCCCCCCC(CS)C(=O)N1
Show InChI InChI=1S/C14H25NO3S2/c16-13-11(9-19)7-5-3-1-2-4-6-8-20-10-12(15-13)14(17)18/h11-12,19H,1-10H2,(H,15,16)(H,17,18)/t11?,12-/m0/s1
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Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition of angiotensin converting enzyme from rabbit lung


J Med Chem 36: 3829-33 (1994)


Article DOI: 10.1021/jm00076a010
BindingDB Entry DOI: 10.7270/Q2125RRG
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50042837
PNG
(6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotetradeca...)
Show SMILES OC(=O)[C@@H]1CSCCCCCCCCC(CS)C(=O)N1
Show InChI InChI=1S/C14H25NO3S2/c16-13-11(9-19)7-5-3-1-2-4-6-8-20-10-12(15-13)14(17)18/h11-12,19H,1-10H2,(H,15,16)(H,17,18)/t11?,12-/m0/s1
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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition against neutral endopeptidase (NEP) from rat kidney


J Med Chem 36: 3829-33 (1994)


Article DOI: 10.1021/jm00076a010
BindingDB Entry DOI: 10.7270/Q2125RRG
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50042837
PNG
(6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotetradeca...)
Show SMILES OC(=O)[C@@H]1CSCCCCCCCCC(CS)C(=O)N1
Show InChI InChI=1S/C14H25NO3S2/c16-13-11(9-19)7-5-3-1-2-4-6-8-20-10-12(15-13)14(17)18/h11-12,19H,1-10H2,(H,15,16)(H,17,18)/t11?,12-/m0/s1
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GoogleScholar
CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition against neutral endopeptidase (NEP) from rat kidney


J Med Chem 36: 3829-33 (1994)


Article DOI: 10.1021/jm00076a010
BindingDB Entry DOI: 10.7270/Q2125RRG
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50042837
PNG
(6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotetradeca...)
Show SMILES OC(=O)[C@@H]1CSCCCCCCCCC(CS)C(=O)N1
Show InChI InChI=1S/C14H25NO3S2/c16-13-11(9-19)7-5-3-1-2-4-6-8-20-10-12(15-13)14(17)18/h11-12,19H,1-10H2,(H,15,16)(H,17,18)/t11?,12-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 167n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition against neutral endopeptidase (NEP) from rat kidney


J Med Chem 36: 3829-33 (1994)


Article DOI: 10.1021/jm00076a010
BindingDB Entry DOI: 10.7270/Q2125RRG
More data for this
Ligand-Target Pair